Data Preprocessing Method for Liquid Chromatography–Mass Spectrometry Based Metabolomics
نویسندگان
چکیده
منابع مشابه
Data preprocessing method for liquid chromatography-mass spectrometry based metabolomics.
A set of data preprocessing algorithms for peak detection and peak list alignment are reported for analysis of liquid chromatography-mass spectrometry (LC-MS)-based metabolomics data. For spectrum deconvolution, peak picking is achieved at the selected ion chromatogram (XIC) level. To estimate and remove the noise in XICs, each XIC is first segmented into several peak groups based on the contin...
متن کاملEnhancing Learning from Imbalanced Classes via Data Preprocessing: A Data-Driven Application in Metabolomics Data Mining
This paper presents a data mining application in metabolomics. It aims at building an enhanced machine learning classifier that can be used for diagnosing cachexia syndrome and identifying its involved biomarkers. To achieve this goal, a data-driven analysis is carried out using a public dataset consisting of 1H-NMR metabolite profile. This dataset suffers from the problem of imbalanced classes...
متن کاملPreprocessing of NMR metabolomics data.
Metabolomics involves the large scale analysis of metabolites and thus, provides information regarding cellular processes in a biological sample. Independently of the analytical technique used, a vast amount of data is always acquired when carrying out metabolomics studies; this results in complex datasets with large amounts of variables. This type of data requires multivariate statistical anal...
متن کاملA Novel Two-Stage Alignment Method for Liquid Chromatography Mass Spectrometry-Based Metabolomics
We report a novel two-stage alignment algorithm that contains full alignment and partial alignment, for the analysis of LC-MS based metabolomics data. The purpose of full alignment is to detect landmark peaks that present in all peak lists to be aligned. These peaks were first selected based on m/z value and isotopic peak profile matching. After removing peaks with large Euclidian distance of r...
متن کاملLiquid chromatography-mass spectrometry calibration transfer and metabolomics data fusion.
Metabolic profiling is routinely performed on multiple analytical platforms to increase the coverage of detected metabolites, and it is often necessary to distribute biological and clinical samples from a study between instruments of the same type to share the workload between different laboratories. The ability to combine metabolomics data arising from different sources is therefore of great i...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Analytical Chemistry
سال: 2012
ISSN: 0003-2700,1520-6882
DOI: 10.1021/ac3016856